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Home > Product > Material & Chemicals > Polymer/Macromolecule > 1-Chloromethyl-2,4-diisocyanatobenzene

1-Chloromethyl-2,4-diisocyanatobenzene | CAS Number: 51979-57-8

Catalog Number
ACM51979578
Product Name
1-Chloromethyl-2,4-diisocyanatobenzene
Structure
CAS Number
51979-57-8
IUPAC Name
1-(chloromethyl)-2,4-diisocyanatobenzene
Synonyms
1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE;1-CHLOROMETHYL-2,4-DIISOCYANATOBENZENE 97%;1-Chloromethyl-2,4-diisocyanatobenzene,98%;1-Chloromethyl-2,4-diisocyanatobenzene,97%;4-Chloromethyl-1,3-phenylene diisocyanate, 97%
Molecular Weight
208.6
Exact Mass
208.00400
Molecular Formula
C9H5ClN2O2
Boiling Point
152-155ºC11 mm Hg(lit.)
Flash Point
>230 °F
Density
1.362 g/mL at 25ºC(lit.)
Purity
96%
SMILES
C1=CC(=C(C=C1N=C=O)N=C=O)CCl
InChIKey
LCJLEYPRGLFMGM-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
4
Safty Description
7-26-27-37/39
Hazard Statements
Xn
Packing Group
III
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1First-principles calculation on the conductance of a single 1,4-diisocyanatobenzene molecule with single-walled carbon nanotubes as the electrodes.

Qian Z1, Hou S, Ning J, Li R, Shen Z, Zhao X, Xue Z.

J Chem Phys. 2007 Feb 28;126(8):084705.

The conductance of a single 1,4-diisocyanatobenzene molecule sandwiched between two single-walled carbon nanotube (SWCNT) electrodes are studied using a fully self-consistent ab initio approach which combines nonequilibrium Green's function formalism with density functional theory calculations. Several metallic zigzag and armchair SWCNTs with different diameters are used as electrodes; dangling bonds at their open ends are terminated with hydrogen atoms. Read More

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Tel:1-201-478-8534
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Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA